3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C18H23N3O — CID 82592413

IUPAC3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(Cn2nc(C3CC3)c3c2CCCC3N)cc1
InChIInChI=1S/C18H23N3O/c1-22-14-9-5-12(6-10-14)11-21-16-4-2-3-15(19)17(16)18(20-21)13-7-8-13/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3
InChIKeyDZQCERRXTLKMBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.15
Rot. Bonds4

About 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592413) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592413
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(Cn2nc(C3CC3)c3c2CCCC3N)cc1
InChIInChI=1S/C18H23N3O/c1-22-14-9-5-12(6-10-14)11-21-16-4-2-3-15(19)17(16)18(20-21)13-7-8-13/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3
InChIKeyDZQCERRXTLKMBZ-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 82592413) is 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is COc1ccc(Cn2nc(C3CC3)c3c2CCCC3N)cc1.
What is the InChIKey of 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DZQCERRXTLKMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-14-9-5-12(6-10-14)11-21-16-4-2-3-15(19)17(16)18(20-21)13-7-8-13/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).